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Quantum Monte Carlo (QMC) methods are some of the most accurate methods for simulating correlated electronic systems. We investigate the compatibility, strengths and weaknesses of two such methods, namely, diffusion Monte Carlo (DMC) and…

Computational Physics · Physics 2020-10-14 Fionn D. Malone , Anouar Benali , Miguel A. Morales , Michel Caffarel , P. R. C. Kent , Luke Shulenburger

The using of GPU for Monte Carlo particle transport is lacking of fair comparisons. This work performs simulations on both CPU and GPU in the same package under the same manufacturing process of low power mobile devices. The experiment with…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-08-15 Changyuan Liu

Three-dimensional neutron transport calculations using the Method of Characteristics (MOC) are highly regarded for their exceptional computational efficiency, precision, and stability. Nevertheless, when dealing with extensive-scale…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-03-25 Faguo Zhou , Shunde Li , Rong Xue , Lingkun Bu , Ningming Nie , Peng Shi , Jue Wang , Yun Hu , Zongguo Wang , Yangang Wang , Qinmeng Yang , Miao Yu

In simulation of nuclear reactor physics using the Monte Carlo neutron transport method on GPUs, the sorting of particles plays a significant role in performance of calculation. Traditionally, CPUs and GPUs are separated devices connected…

Hardware Architecture · Computer Science 2024-03-19 Changyuan Liu

Hamiltonian Monte Carlo (HMC) has emerged as a powerful Markov Chain Monte Carlo (MCMC) method to sample from complex continuous distributions. However, a fundamental limitation of HMC is that it can not be applied to distributions with…

Computation · Statistics 2021-12-10 Guangyao Zhou

We present a comparison of the performance of two non-local update algorithms for path integral Monte Carlo (PIMC) simulations, the multigrid Monte Carlo method and the staging algorithm. Looking at autocorrelation times for the internal…

Condensed Matter · Physics 2015-06-25 Wolfhard Janke , Tilman Sauer

Markov chain Monte Carlo is an inherently serial algorithm. Although likelihood calculations for individual steps can sometimes be parallelized, the serial evolution of the process is widely viewed as incompatible with parallelization,…

Computation · Statistics 2013-12-31 Douglas N. VanDerwerken , Scott C. Schmidler

Monte Carlo methods provide detailed and accurate results for radiation transport simulations. Unfortunately, the high computational cost of these methods limits its usage in real-time applications. Moreover, existing computer codes do not…

Computational Physics · Physics 2021-06-21 V. Giménez-Alventosa , V. Giménez Gómez , S. Oliver Gil

We present an FPGA-based study of matrix-element acceleration for Monte Carlo event generation, using MadGraph5_aMC@NLO as a benchmark framework. Two complementary scenarios are considered. First, we implement the full matrix-element…

A parallelized hybrid Monte Carlo (HMC) methodology is devised to quantify the microstructural evolution of polycrystalline material under elastic loading. The approach combines a time explicit material point method (MPM) for the mechanical…

Materials Science · Physics 2010-09-03 Liangzhe Zhang , Timothy Bartel , Mark T. Lusk

Monte Carlo (MC) methods for numerical integration seem to be embarassingly parallel on first sight. When adaptive schemes are applied in order to enhance convergence however, the seemingly most natural way of replicating the whole job on…

Computational Physics · Physics 2009-10-30 Richard Kreckel

An algorithm is proposed to solve robust control problems constrained by partial differential equations with uncertain coefficients, based on the so-called MG/OPT framework. The levels in this MG/OPT hierarchy correspond to discretization…

Numerical Analysis · Mathematics 2021-07-21 Andreas Van Barel , Stefan Vandewalle

We implemented a fast Reciprocal Monte Carlo algorithm, to accurately solve radiative heat transfer in turbulent flows of non-grey participating media that can be coupled to fully resolved turbulent flows, namely to Direct Numerical…

Computational Engineering, Finance, and Science · Computer Science 2019-05-21 Simone Silvestri , Rene Pecnik

We present a case-study on the utility of graphics cards to perform massively parallel simulation of advanced Monte Carlo methods. Graphics cards, containing multiple Graphics Processing Units (GPUs), are self-contained parallel…

Computation · Statistics 2015-05-05 Anthony Lee , Christopher Yau , Michael B. Giles , Arnaud Doucet , Christopher C. Holmes

The net charge of solvated entities, ranging from polyelectrolytes and biomolecules to charged nanoparticles and membranes, depends on the local dissociation equilibrium of individual ionizable groups. Incorporation of this phenomenon,…

Soft Condensed Matter · Physics 2022-01-25 Tine Curk , Jiaxing Yuan , Erik Luijten

We present a scheme for the parallelization of quantum Monte Carlo on graphical processing units, focusing on bosonic systems and variational Monte Carlo. We use asynchronous execution schemes with shared memory persistence, and obtain an…

Computational Physics · Physics 2014-12-10 Y. Lutsyshyn

The recent trend toward deep learning has led to the development of a variety of highly innovative AI accelerator architectures. One such architecture, the Cerebras Wafer-Scale Engine 2 (WSE-2), features 40 GB of on-chip SRAM, making it a…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-11-08 John Tramm , Bryce Allen , Kazutomo Yoshii , Andrew Siegel , Leighton Wilson

Reliable theoretical predictions of noncovalent interaction energies, which are important e.g. in drug-design and hydrogen-storage applications, belong to longstanding challenges of contemporary quantum chemistry. In this respect, the…

Chemical Physics · Physics 2016-06-06 Matúš Dubecký , René Derian , Petr Jurečka , Lubos Mitas , Pavel Hobza , Michal Otyepka

In this article, we study the application of Multi-Level Monte Carlo (MLMC) approaches to numerical random homogenization. Our objective is to compute the expectation of some functionals of the homogenized coefficients, or of the…

Numerical Analysis · Mathematics 2013-01-15 Yalchin Efendiev , Cornelia Kronsbein , Frederic Legoll

This paper presents a methodology for simultaneous heterogeneous computing, named ENEAC, where a quad core ARM Cortex-A53 CPU works in tandem with a preprogrammed on-board FPGA accelerator. A heterogeneous scheduler distributes the tasks…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-11-16 Kris Nikov , Mohammad Hosseinabady , Rafael Asenjo , Andrés Rodríguezz , Angeles Navarro , Jose Nunez-Yanez
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